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2-{(2-Chlorophenyl)thio}-5-(trifluoromethyl)aniline
SpectraBase Compound ID D6TyPdVNgeX
InChI InChI=1S/C13H9ClF3NS/c14-9-3-1-2-4-11(9)19-12-6-5-8(7-10(12)18)13(15,16)17/h1-7H,18H2
InChIKey BVAIGZDYICQVEZ-UHFFFAOYSA-N
Mol Weight 303.73 g/mol
Molecular Formula C13H9ClF3NS
Exact Mass 303.009633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJqwoYH4wi2
Name 2-{(2-Chlorophenyl)thio}-5-(trifluoromethyl)aniline
Appearance Yellow oil
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Exact Mass 303.009632657 u
Formula C13H9ClF3NS
InChI InChI=1S/C13H9ClF3NS/c14-9-3-1-2-4-11(9)19-12-6-5-8(7-10(12)18)13(15,16)17/h1-7H,18H2
InChIKey BVAIGZDYICQVEZ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201603092
Molecular Weight 303.730 g/mol
Reported Formula C13H9(35)ClF3NS
SMILES NC1=C(SC2=C(Cl)C=CC=C2)C=CC(=C1)C(F)(F)F
SPLASH splash10-0gba-0397000000-732ca0066ee6a8fc09b5
Source of Spectrum QE-22-SM31-6c (DOI: 10.1002/chem.201603092)
Wiley ID 1905126